4-[5-bromanyl-1-[4-(4-butylphenyl)-6-(furan-2-yl)quinazolin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-bromanyl-1-[4-(4-butylphenyl)-6-(furan-2-yl)quinazolin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-bromo-1-[4-(4-butylphenyl)-6-(2-furyl)quinazolin-2-yl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-bromo-1-[4-(4-butylphenyl)-6-(2-furanyl)-2-quinazolinyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-bromo-1-[4-(4-butylphenyl)-6-(furan-2-yl)quinazolin-2-yl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-bromo-1-[4-(4-butylphenyl)-6-(2-furyl)quinazolin-2-yl]indol-3-yl]-4-keto-butyric acid Formula: C34H28BrN3O4 MolecularWeight: 622.50782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)C4=CC=CO4)N5C=C(C6=C5C=CC(=C6)Br)C(=O)CCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)C4=CC=CO4)N5C=C(C6=C5C=CC(=C6)Br)C(=O)CCC(=O)O

InChI

InChI=1S/C34H28BrN3O4/c1-2-3-5-21-7-9-22(10-8-21)33-26-18-23(31-6-4-17-42-31)11-13-28(26)36-34(37-33)38-20-27(30(39)15-16-32(40)41)25-19-24(35)12-14-29(25)38/h4,6-14,17-20H,2-3,5,15-16H2,1H3,(H,40,41)